azanium 2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioate

Systemtic Name: azanium 2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioate Openeye Name: ammonium 2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioate CAS Name: ammonium 2-[(3-octyl-2H-1,3-benzothiazol-2-yl)thio]butanedioate IUPAC Name: azanium 2-[(3-octyl-2H-1,3-benzothiazol-2-yl)sulfanyl]butanedioate Traditional Name: ammonium 2-[(3-octyl-2H-1,3-benzothiazol-2-yl)thio]succinate Formula: C19H29N2O4S2- MolecularWeight: 413.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(SC2=CC=CC=C21)SC(CC(=O)[O-])C(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCN1C(SC2=CC=CC=C21)SC(CC(=O)[O-])C(=O)[O-].[NH4+]

InChI

InChI=1S/C19H27NO4S2.H3N/c1-2-3-4-5-6-9-12-20-14-10-7-8-11-15(14)25-19(20)26-16(18(23)24)13-17(21)22;/h7-8,10-11,16,19H,2-6,9,12-13H2,1H3,(H,21,22)(H,23,24);1H3/p-1